Geometry & MOs

Info

ID:	334253
PubChem CID:	127252805
Reduced:	ClSN3O6C25H28 (1)
Stoich.:	ABC3D6E25F28 (1)
Weight, g/mol:	408.158626
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	6.01
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-quinolin-6-yl-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC(CCSC)C4=NC(=NO4)C5CC5

DOS

IR

Vibrations